N-methyl-5-[(2S)-1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide

C16H21N5O — CID 95848415

IUPACN-methyl-5-[(2S)-1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide
SMILESCNC(=O)c1cn[nH]c1[C@@H]1CCCN1CCc1ccncc1
InChIInChI=1S/C16H21N5O/c1-17-16(22)13-11-19-20-15(13)14-3-2-9-21(14)10-6-12-4-7-18-8-5-12/h4-5,7-8,11,14H,2-3,6,9-10H2,1H3,(H,17,22)(H,19,20)/t14-/m0/s1
InChIKeyHEILBNZGUZIRQU-AWEZNQCLSA-N
MW299.38 g/mol
LogP1.54
Rot. Bonds5

About N-methyl-5-[(2S)-1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide

N-methyl-5-[(2S)-1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide (PubChem CID 95848415) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-methyl-5-[(2S)-1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[(2S)-1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide
PubChem CID95848415
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-methyl-5-[(2S)-1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide
SMILESCNC(=O)c1cn[nH]c1[C@@H]1CCCN1CCc1ccncc1
InChIInChI=1S/C16H21N5O/c1-17-16(22)13-11-19-20-15(13)14-3-2-9-21(14)10-6-12-4-7-18-8-5-12/h4-5,7-8,11,14H,2-3,6,9-10H2,1H3,(H,17,22)(H,19,20)/t14-/m0/s1
InChIKeyHEILBNZGUZIRQU-AWEZNQCLSA-N
XLogP1.54
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(2S)-1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-methyl-5-[(2S)-1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide (CID 95848415) is N-methyl-5-[(2S)-1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-methyl-5-[(2S)-1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-methyl-5-[(2S)-1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide is CNC(=O)c1cn[nH]c1[C@@H]1CCCN1CCc1ccncc1.
What is the InChIKey of N-methyl-5-[(2S)-1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is HEILBNZGUZIRQU-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21N5O/c1-17-16(22)13-11-19-20-15(13)14-3-2-9-21(14)10-6-12-4-7-18-8-5-12/h4-5,7-8,11,14H,2-3,6,9-10H2,1H3,(H,17,22)(H,19,20)/t14-/m0/s1.
What are the key properties of N-methyl-5-[(2S)-1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide?
N-methyl-5-[(2S)-1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(2S)-1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 95848415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).